CID 3143288

1-ethyl-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CCC1C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2
InChI
InChI=1S/C14H16N2O2/c1-2-10-13-9(7-12(15-10)14(17)18)8-5-3-4-6-11(8)16-13/h3-6,10,12,15-16H,2,7H2,1H3,(H,17,18)
InChIKey
OOJCKCNYTLTQGT-UHFFFAOYSA-N
Compound name
1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8
Patents

244.12119 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 155.5
[M+Na]+ 267.11041 167.2
[M+NH4]+ 262.15501 162.9
[M+K]+ 283.08435 163.2
[M-H]- 243.11391 155.5
[M+Na-2H]- 265.09586 158.2
[M]+ 244.12064 156.9
[M]- 244.12174 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe